AE11529
1054543-47-3 | Apoptozole
Manufacturer: A2B Chem
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CatalogNumber
AE11529
ChemicalName
Apoptozole
CasNumber
1054543-47-3
MolecularFormula
C33H25F6N3O3
MolecularWeight
625.5603
MdlNumber
MFCD19443178
Smiles
COc1ccc(cc1)c1n(Cc2ccc(cc2)C(=O)N)c(nc1c1ccc(cc1)OC)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity
936
Covalently-bondedUnitCount
1
HeavyAtomCount
45
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
7.2
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CatalogNumber: AE11529
ChemicalName: Apoptozole
CasNumber: 1054543-47-3
MolecularFormula: C33H25F6N3O3
MolecularWeight: 625.5603
MdlNumber: MFCD19443178
Smiles: COc1ccc(cc1)c1n(Cc2ccc(cc2)C(=O)N)c(nc1c1ccc(cc1)OC)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 936
Covalently-bondedUnitCount: 1
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 7.2
CatalogNumber:
AE11529
ChemicalName:
Apoptozole
CasNumber:
1054543-47-3
MolecularFormula:
C33H25F6N3O3
MolecularWeight:
625.5603
MdlNumber:
MFCD19443178
Smiles:
COc1ccc(cc1)c1n(Cc2ccc(cc2)C(=O)N)c(nc1c1ccc(cc1)OC)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
936
Covalently-bondedUnitCount:
1
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
7.2
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCC(n1c(=O)cnc2c1nc(OC)cc2)CO
Complexity: __
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Smiles:
OCC(n1c(=O)cnc2c1nc(OC)cc2)CO
Complexity:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)C[C@@H]1CC[C@H](CC1)O
Complexity: __
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Smiles:
CCOC(=O)C[C@@H]1CC[C@H](CC1)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: ONC(=O)CCc1ccc(cn1)CN[C@H](C(=O)OC1CCCC1)C1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ONC(=O)CCc1ccc(cn1)CN[C@H](C(=O)OC1CCCC1)C1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__